Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50343575'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H1 receptor (Homo sapiens (Human))	BDBM50343575 (2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...) Show SMILES CC(C(O)=O)c1ccc2OCc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1 Show InChI InChI=1S/C30H37N5O5/c1-21(29(37)38)22-10-11-26-25(18-22)35(24-9-5-4-8-23(24)20-40-26)15-7-13-33-12-6-14-34(17-16-33)27-19-28(36)32(3)30(39)31(27)2/h4-5,8-11,18-19,21H,6-7,12-17,20H2,1-3H3,(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma. Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				Bioorg Med Chem 19: 3005-21 (2011) Article DOI: 10.1016/j.bmc.2011.03.003 BindingDB Entry DOI: 10.7270/Q23T9HJM
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